methyl 3-chloranyl-6-[(4-morpholin-4-ylsulfonylphenyl)carbamothioylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-[(4-morpholin-4-ylsulfonylphenyl)carbamothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[(4-morpholinosulfonylphenyl)carbamothioylamino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[[4-(4-morpholinylsulfonyl)anilino]-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[(4-morpholin-4-ylsulfonylphenyl)carbamothioylamino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[(4-morpholinosulfonylphenyl)thiocarbamoylamino]benzothiophene-2-carboxylic acid methyl ester Formula: C21H20ClN3O5S3 MolecularWeight: 526.0486

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)NC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4)Cl

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)NC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4)Cl

InChI

InChI=1S/C21H20ClN3O5S3/c1-29-20(26)19-18(22)16-7-4-14(12-17(16)32-19)24-21(31)23-13-2-5-15(6-3-13)33(27,28)25-8-10-30-11-9-25/h2-7,12H,8-11H2,1H3,(H2,23,24,31)